# generated using pymatgen
data_Ca3SiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56209406
_cell_length_b   4.56209406
_cell_length_c   11.67605964
_cell_angle_alpha   78.48027230
_cell_angle_beta   78.48027230
_cell_angle_gamma   60.75647812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SiBr2
_chemical_formula_sum   'Ca3 Si1 Br2'
_cell_volume   206.27957387
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.02356700  0.02356700  0.44400900  1.0
  Ca  Ca1  1  0.59076000  0.59076000  0.85719500  1.0
  Ca  Ca2  1  0.84466400  0.84466400  0.07890700  1.0
  Si  Si3  1  0.21710500  0.21710500  0.96921600  1.0
  Br  Br4  1  0.64566600  0.64566600  0.57258700  1.0
  Br  Br5  1  0.39924100  0.39924100  0.32108700  1.0